6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde

C7H8N2OS — CID 82413242

IUPAC6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde
SMILESO=Cc1cnc2n1CCCS2
InChIInChI=1S/C7H8N2OS/c10-5-6-4-8-7-9(6)2-1-3-11-7/h4-5H,1-3H2
InChIKeyXLRQTDFNELRNIO-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.19
Rot. Bonds1

About 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde

6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde (PubChem CID 82413242) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde.

Molecular Properties

Compound Name6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde
PubChem CID82413242
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde
SMILESO=Cc1cnc2n1CCCS2
InChIInChI=1S/C7H8N2OS/c10-5-6-4-8-7-9(6)2-1-3-11-7/h4-5H,1-3H2
InChIKeyXLRQTDFNELRNIO-UHFFFAOYSA-N
XLogP1.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde?
The IUPAC name of 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde (CID 82413242) is 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde.
What is the SMILES notation for 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde?
The canonical SMILES for 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde is O=Cc1cnc2n1CCCS2.
What is the InChIKey of 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde?
The InChIKey is XLRQTDFNELRNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c10-5-6-4-8-7-9(6)2-1-3-11-7/h4-5H,1-3H2.
What are the key properties of 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde?
6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde has a molecular weight of 168.22 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-3-carbaldehyde is sourced from PubChem (CID 82413242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).